Journal of Materials Science: Materials in Electronics最新文献_第9页

Opposite gas-sensing behavior of n-xZnO/p-yCr2O3 nanocomposites to H2 against CO and its selectivity mechanism

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-21 DOI: 10.1007/s10854-025-14548-x

Wen-Dong Zhou, Hong-Xia Liu, Qi Wang, Davoud Dastan, Hong-Bo Zhang, Hanieh Helli

{"title":"Opposite gas-sensing behavior of n-xZnO/p-yCr2O3 nanocomposites to H2 against CO and its selectivity mechanism","authors":"Wen-Dong Zhou, Hong-Xia Liu, Qi Wang, Davoud Dastan, Hong-Bo Zhang, Hanieh Helli","doi":"10.1007/s10854-025-14548-x","DOIUrl":"10.1007/s10854-025-14548-x","url":null,"abstract":"<div>There are several advantages to using metal-oxide semiconductor (MOS) gas sensors, including their high sensitivity, short response–recovery time, and long-term stability. However, the poor selectivity is a severe challenge in the applications of MOS gas sensors. For instance, it can be difficult for MOS sensors to differentiate between carbon monoxide (CO) and hydrogen (H2) due to their similar gas-sensing behaviors. In this paper, a series of n-xZnO/p-yCr2O3 nanocomposites (ZnxCry NPs, x:y represents the molar ratio of Zn:Cr) were prepared using a simple sol–gel method. The structural, composition, and the surface physicochemical states of the ZnxCry material were studied via X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The characterization results demonstrate that p-n heterojunctions of ZnxCry NPs have been prepared. Gas-sensing results showed that the ZnxCry NPs' gas-sensing behavior was influenced by the Zn:Cr molar ratio. Interestingly, Zn8Cr2 NPs sensors showed n-type responses to H2 but opposite responses (p-type) to CO, demonstrating that the low selectivity of MOS gas sensors can be addressed by modulating the n- or p-type semiconductor concentration in ZnxCry NPs. This paper offered an effective way to address the problem of poor selectivity of MOS sensors to CO and H2. The gas-sensing mechanism of ZnxCry NPs-based sensors is experimentally studied in details.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143668204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dielectric, electrical transport and magnetic properties of (WO3)x/(CuFe2O4)1-x (x = 0.1 to 0.5%) nanocomposites

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-21 DOI: 10.1007/s10854-025-14509-4

Kashif Ali, Asif Ilyas

{"title":"Dielectric, electrical transport and magnetic properties of (WO3)x/(CuFe2O4)1-x (x = 0.1 to 0.5%) nanocomposites","authors":"Kashif Ali, Asif Ilyas","doi":"10.1007/s10854-025-14509-4","DOIUrl":"10.1007/s10854-025-14509-4","url":null,"abstract":"<div>The (WO3)x/(CuFe2O4)1-x; x = 10 to 50 wt% nanocomposites were obtained by powder mixing method. The analysis of phase was confirmed by X-ray diffraction (XRD) pattern, which shows the formation of both phases without any impurities. The Scanning Electron Microscope (SEM) images exhibit the cubic morphology of particles with nano-dimensions and the cubic morphology deteriorated with addition of WO3. The variation of dielectric constant both real (ε/) and imaginary parts (ε//) as a function of log ω was measured over the frequency ranging from 1 kHz to 2 MHz. Both ε/ & ε// also demonstrate the higher value at low frequency and explained by Koops’s theory. Moreover, ε/ and ε// of dielectric constant increases with WO3 contents. This higher value of dielectric constant makes this nanocomposite (NCPs) a promising material in energy storage devices. The A.C. conductivity (σac) also shows an increasing trend with frequency which is attributed to increase in jumping frequency of charges between Fe2+ and Fe3+. The real (Z/) and imaginary (Z//) parts of impedance decreases at higher frequency ascribed to increase in σa.c. The Nyquist plots show one semicircular arc at higher frequency which is attributed to the conduction process produced in grains. The effect of magnetic field on these NCPs was also observed by measuring the M/H loops through Vibrating Sample Magnetometer (VSM) at room temperature. The M/H loops show a typical behavior of ferrimagnetic ceramic with diminish of saturation magnetization (Ms) and coercivity (Hc) with WO3 contents.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143668206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Construction and electromagnetic wave absorption properties of polypyrrole encapsulated Ni-MOF nanoflower derivatives

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-21 DOI: 10.1007/s10854-025-14564-x

Kun Zhang, Xuedong Zhang, Yizhuo Sun, Youjian Chen, Fengyi Zhang, Yaxin Wang, Xiaoyu Zhao, Renxian Gao, Rufei Cui, Yongjun Zhang

{"title":"Construction and electromagnetic wave absorption properties of polypyrrole encapsulated Ni-MOF nanoflower derivatives","authors":"Kun Zhang, Xuedong Zhang, Yizhuo Sun, Youjian Chen, Fengyi Zhang, Yaxin Wang, Xiaoyu Zhao, Renxian Gao, Rufei Cui, Yongjun Zhang","doi":"10.1007/s10854-025-14564-x","DOIUrl":"10.1007/s10854-025-14564-x","url":null,"abstract":"<div>Ultrathin and lightweight electromagnetic wave absorption (EMA) materials have gained tremendous research interest due to their potential application value to reduce electromagnetic radiation pollution. Integrated utilization of heterointerface engineering and in situ polymerization have been identified as effective strategies for preparing composite materials with enhanced EMA properties. In this work, Ni/C composite derived from Ni-MOF-74 was chosen as a supportive to direct the in situ polymerization of polypyrrole (PPy) under the guidance of π–π stacking attraction. Owing to the intrinsic magnetoelectric response properties of Ni/C composites, the tunable electrical conductivity of PPy, and the cooperative merits of well-tuned impedance matching, all the synthesized Ni/C-PPy exhibit favorable electromagnetic attenuation capabilities, and with the highest minimum reflection loss (RLmin) value of −57.5 dB at an ultrathin thickness of 1.75 mm and the largest effective absorption bandwidth (EABmax) of 4.8 GHz at 1.9 mm for Ni/C-PPy-2. The heterointerface engineering strategy applied in this work, which is economical and environmentally friendly by tuning the in situ polymerization process under ambient conditions, is expected to be a promising approach for the development of EMA materials.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143668288","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced multifunctionality in Nd- and Zn-doped BaTiO3: structural, optical, dielectric, and catalytic insights for sustainable wastewater treatment

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-21 DOI: 10.1007/s10854-025-14572-x

Showket Ahmad Bhat, Irfan Ayoub Itoo, Roomul Mushtaq, Mohd Ikram

{"title":"Enhanced multifunctionality in Nd- and Zn-doped BaTiO3: structural, optical, dielectric, and catalytic insights for sustainable wastewater treatment","authors":"Showket Ahmad Bhat, Irfan Ayoub Itoo, Roomul Mushtaq, Mohd Ikram","doi":"10.1007/s10854-025-14572-x","DOIUrl":"10.1007/s10854-025-14572-x","url":null,"abstract":"<div>This study explores the structural, optical, dielectric, and catalytic properties of BaTiO3 and its Nd- and Zn-doped derivatives, synthesized via high-energy mechanical milling and solid-state reaction. X-ray diffraction and Raman spectroscopy confirm the retention of the tetragonal perovskite structure with enhanced lattice distortion due to Nd and Zn incorporation. Field emission scanning electron microscopy reveals a systematic reduction in grain size, enhancing the catalytic surface area. UV–Visible spectroscopy demonstrates a significant reduction in the optical bandgap from 3.25 eV (pure BaTiO3) to 2.94 eV (co-doped Ba1-xNdxTi1-xZnxO3), facilitating visible light absorption. Dielectric studies, modeled using the Havriliak-Negami function, highlight broader and more asymmetric relaxation dynamics, alongside improved thermal stability. Catalytic efficiency was evaluated through the degradation of Rhodamine B dye under ultrasonic vibrations and UV–visible light irradiation, showcasing superior piezo-catalytic and photocatalytic performance in co-doped samples. The results underscore the synergistic effect of Nd and Zn doping, which optimizes charge separation and light absorption, making Ba1-xNdxTi1-xZnxO3 a highly efficient catalyst for environmental remediation. These findings pave the way for scalable, multifunctional materials designed for sustainable wastewater treatment and pollution control applications.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143667906","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tunable structural, optical, and photoluminescent characteristics of MoO3/α-NiMoO4 heterostructures through in situ growth of MoO3 nanoparticles

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-21 DOI: 10.1007/s10854-025-14570-z

Zein K. Heiba, Noura M. Farag, Ali Badawi, Mohamed Bakr Mohamed

{"title":"Tunable structural, optical, and photoluminescent characteristics of MoO3/α-NiMoO4 heterostructures through in situ growth of MoO3 nanoparticles","authors":"Zein K. Heiba, Noura M. Farag, Ali Badawi, Mohamed Bakr Mohamed","doi":"10.1007/s10854-025-14570-z","DOIUrl":"10.1007/s10854-025-14570-z","url":null,"abstract":"<div>Nanocomposites of x wt % MoO3/α-NiMoO4 (x = 0.0, 1.3, 6, 16, and 60) were prepared using a hydrothermal approach. The synchrotron X-ray diffraction (XRD) patterns measured were analyzed applying the Rietveld refinement method to identify and quantify the phases formed in each sample. The variation in crystallite size, lattice parameters, and phase percentage for each formed phase in the nanocomposites was determined. Further characterization of the nanocomposites was performed utilizing Fourier transform infrared spectroscopy (FTIR) and Raman spectra confirming the formation of MoO3/α-NiMoO4 heterostructures. UV–Vis–NIR diffuse reflectance measurements revealed three distinctive absorption bands ascribed to a ligand-to-metal charge transfer (O2⁻ → Mo6+) and the spin-allowed d–d transitions taking place within the Ni-octahedra ions. All samples exhibited nearly identical reflectance and absorbance characteristics within the UV–Vis range of 300–730 nm; however, in the near-infrared region (λ > 750 nm), the absorbance exhibited an increasing trend correlating positively with the amount of MoO3 in the composite. The optical band gap of α-NiMoO4 is 2.995 eV and varied non-monotonically with MoO3 percent (x); it is reduced for x ≤ 6 and increased for higher values of (x). Different empirical models were applied to find out the refractive index of each sample. The nanocomposite with x = 1.3% exhibited the highest refractive index (2.48) and nonlinear optical parameters. The PL intensity was enhanced due to the higher absorption and more oxygen vacancies that improve the gas sensing reaction. The samples revealed cyan green colors depending on the amount of MoO3 in the nanocomposites.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143668199","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synergistic optimization strategy enhanced the energy storage performance of NaNbO3-based relaxation antiferroelectric ceramics

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-21 DOI: 10.1007/s10854-025-14587-4

Hongjuan Wen, Xiusheng Wu, Naiji Zhou, Hanlv Li, Jufang Cao

{"title":"Synergistic optimization strategy enhanced the energy storage performance of NaNbO3-based relaxation antiferroelectric ceramics","authors":"Hongjuan Wen, Xiusheng Wu, Naiji Zhou, Hanlv Li, Jufang Cao","doi":"10.1007/s10854-025-14587-4","DOIUrl":"10.1007/s10854-025-14587-4","url":null,"abstract":"<div>\u0000Due to the continuous popularization of electronic facilities and the increasing requirements for the green environment, the development of lead-free ceramics is more in line with policy orientation and market demand. Among the lead-free dielectric materials, antiferroelectric sodium niobate attracts much attention because of its low price of raw materials and high breakdown field strength (Eb). However, its relatively high remanent polarization results in extremely significant energy loss. This drawback largely limits its effective application in practical application scenarios. In this study, La3⁺ and Bi3⁺ were used to substitute for the A-site, and Mg2⁺ and Ta5⁺ were used to substitute for the B-site to enhance the relaxation behavior. On this basis, the linear dielectric CaTiO₃ was added to improve the insulation of the ceramics. By inducing polar nanoregions (PNRs) to reduce the remanent polarization strength of the ceramics, (1-x)[0.9NaNbO3-0.1(La0.3Bi0.7Mg2/3Ta1/3)O3]-xCaTiO3 (x = 0.05、0.10、0.15、0.20) ceramics were successfully prepared. The results showed that with the increase of CaTiO3 content, the overall trend of the activation energy of the ceramics increased, and the difficulty of carrier migration increased. As a result, the breakdown field strength was significantly improved, rising from the original 350 kV/cm to 470 kV/cm. When x = 0.15, the 0.15CT ceramic achieved a high effective energy storage Wrec = 4.02 J/cm3 and energy storage efficiency ƞ = 87% under 470 kV/cm. Furthermore, this work exhibited outstanding temperature stability and an ultrafast charge–discharge rate (t0.9) of 21 ns. This research provides a new idea for the development of future high-performance capacitors.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 9","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143668205","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Binder-free tuberosa architectured barium hydroxide thin film for supercapacitor application

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-20 DOI: 10.1007/s10854-025-14525-4

Abhishek Kumar Sahu, S. N. Pandey

{"title":"Binder-free tuberosa architectured barium hydroxide thin film for supercapacitor application","authors":"Abhishek Kumar Sahu, S. N. Pandey","doi":"10.1007/s10854-025-14525-4","DOIUrl":"10.1007/s10854-025-14525-4","url":null,"abstract":"<div>In recent times, there has been a rising interest in utilizing alkaline earth metals for energy storage applications. Thin films of Ba(OH)2 were deposited on stainless steel (SS) using the successive ionic layer adsorption and reaction (SILAR) method. The characterization of prepared films was carried out through X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), X-ray photo-electron spectroscopy (XPS), field emission scanning electron microscopy (FE-SEM) and atomic force microscopy (AFM). The surface study of Ba(OH)2 thin film on SS reveals the polianthes tuberosa morphology. The electrochemical properties of the prepared electrodes were examined using cyclic voltammetry (CV) in a 1 M Na2SO4 electrolyte solution. The electrode exhibited a maximum specific capacity (({C}_{text{s}})) of 402.8 C g−1 at a current rate of 0.5 mA for 2 V potential window, having cyclic stability with a retention of 63.5% after 1000 CV cycles. This electrode demonstrated energy density of 112 Wh Kg−1 and a power density of 3400 W Kg−1 at a current rate of 0.5 mA. Furthermore, a solid-state symmetric supercapacitor device has been fabricated. The device exhibits energy and power densities of 0.32 Wh Kg−1 and 251.08 W Kg−1, respectively. The practical applicability of the device has been shown by illuminating blue-, green-, red- and white-coloured light emission diodes (LEDs) and flexibility test at different angles. These findings suggest the potential of Ba(OH)2 thin films, deposited via SILAR, as promising materials for supercapacitive energy storage applications.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655418","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Impact of copper concentration and post-deposition annealing cum controlled cooling on the photoresponsivity for Cu2SnSe3 (CTSe) thin films 铜浓度和沉积后退火暨受控冷却对 Cu2SnSe3 (CTSe) 薄膜光致发光性的影响

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-20 DOI: 10.1007/s10854-025-14582-9

Rajeshwari Mannu, Arindam Basak, Udai P. Singh

{"title":"Impact of copper concentration and post-deposition annealing cum controlled cooling on the photoresponsivity for Cu2SnSe3 (CTSe) thin films","authors":"Rajeshwari Mannu, Arindam Basak, Udai P. Singh","doi":"10.1007/s10854-025-14582-9","DOIUrl":"10.1007/s10854-025-14582-9","url":null,"abstract":"<div>Copper tin selenide, Cu2SnSe3 (CTSe), a ternary compound chalcogenide semiconductor material is gaining interest to be used as an optoelectronic material because of its high absorption coefficient, an optimal band gap ranging from 0.8 to 1.7 eV and preferable electrical properties (carrier concentration ̴ 1018–1021 cm−3 and hole mobility ̴ 2–870 cm2V−1 s−1). CTSe is an emerging semiconductor material having a wide array of applications including solar cell, photodetectors, and thermoelectric and supercapacitor applications. In the current research work, CTSe thin films were studied for the application of wavelength-selective photodetectors. The impact of copper concentration with subsequent annealing on the performance of photodetection was studied. Thermally evaporated thin films were prepared by taking Cu, Sn and Se powders (Alfa Aesar and Thomas Baker, 99.99% purity) in stoichiometric ratio of 2:1:3 and mixed together for pellet preparation. Post-deposition annealing cum controlled cooling was carried out at 400 °C and 450 °C in selenium environment. The deposited films showed Cu-poor composition with n-type conductivity. To maintain the stoichiometry, additional copper was deposited using DC sputtering at 100W power. Post deposition, the samples were reannealed in the same annealing cum controlled cooling profile. Compositional study confirmed an increase in the copper atomic % and a change in the conductivity to p-type from the previously obtained n-type. Interdiffusion of copper is playing a significant role in modifying the conductivity of the deposited samples. It was found that annealing modified the structural, electrical and optical properties of the samples. With the modified opto-electrical properties, the wavelength-selective photoresponse shows better performance.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143668167","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of Sr2+ doping on structural, dielectric, electrical, and optical properties of BaTiO3 ceramics

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-20 DOI: 10.1007/s10854-025-14592-7

Riya Malik, Pooja Dahiya, Priya, Ashima Hooda, Satish Khasa

{"title":"Effect of Sr2+ doping on structural, dielectric, electrical, and optical properties of BaTiO3 ceramics","authors":"Riya Malik, Pooja Dahiya,  Priya, Ashima Hooda, Satish Khasa","doi":"10.1007/s10854-025-14592-7","DOIUrl":"10.1007/s10854-025-14592-7","url":null,"abstract":"<div>The proposed article provides insights into the impacts of Sr substitution on the structural, electrical, dielectric, and optical properties of barium titanate (BT). Fabrication of the series Ba1-xSrxTiO3 (x = 0.03, 0.05, 0.07) (BST) has been accomplished via solid-state reaction route with the additive advantage of being eco-friendly. X-ray diffraction (XRD) supported by the Rietveld refinement elucidated phase purity, single phase, and crystalline behavior of synthesized ceramics. Structural studies were lightened by the Fourier transform infrared spectroscopy (FTIR) whose analysis demonstrated in the range of wavenumber 400 to 4000 cm−1. It validated BaTiO3 by marking the presence of a prominent peak of Ti–O’s ‘stretching vibration’ within TiO6 octahedron. Here, the blue shift that occurred was attributed to the Sr substitution. The scanning electron microscope (SEM) along with energy-dispersive X-ray spectroscopy (EDS) provided a glance on the morphological and compositional analysis. Both tangent loss (tanδ) and dielectric constant exhibited dispersion at low frequency. The variation of DC electrical conductivity with temperature signified the semiconducting behavior of the synthesized material. UV–vis spectroscopy analysis was performed in DRS mode in the wavelength range of 200–800 nm. Tauc’s plot and absorbance spectra indicated that the optical bandgap increases upon adding Sr2+ ions compared to pristine BT. For structural purity, the Raman Spectroscopy has been performed in the wavenumber range of 200–1000 cm−1. These findings contribute that BST is a promising material for a variety of applications mainly in the field of optoelectronic devices operating in the visible range.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Structure–property relationship of an organic crystal (E)-3-(4-(dimethylamino)phenyl)-1-(4-(methylthio)phenyl)prop-2-en-1-one through linear, nonlinear optical, molecular docking, and DFT investigations for optoelectronic applications

IF 2.8 4区工程技术

Journal of Materials Science: Materials in Electronics Pub Date : 2025-03-20 DOI: 10.1007/s10854-025-14556-x

D. Sateesha, Sampath Chinnam, Guddekoppa S. Ananthnag, T. Chandra Shekhara Shetty, Itte Pushpavathi, G. Vinitha, S. Raghavendra

{"title":"Structure–property relationship of an organic crystal (E)-3-(4-(dimethylamino)phenyl)-1-(4-(methylthio)phenyl)prop-2-en-1-one through linear, nonlinear optical, molecular docking, and DFT investigations for optoelectronic applications","authors":"D. Sateesha, Sampath Chinnam, Guddekoppa S. Ananthnag, T. Chandra Shekhara Shetty, Itte Pushpavathi, G. Vinitha, S. Raghavendra","doi":"10.1007/s10854-025-14556-x","DOIUrl":"10.1007/s10854-025-14556-x","url":null,"abstract":"<div>Herein, we report the synthesis, characterization, nonlinear optical properties, DFT, and in silico docking studies of an organic crystal (E)-3-(4-(dimethylamino)phenyl)-1-(4-(methylthio)phenyl)prop-2-en-1-one(DAPMP). The single-crystal X-ray diffraction study established the crystal and molecular structure of DAPMP. The study also showed that the compound crystallized in monoclinic crystal system with space group P21/c. Additionally, DFT calculations at RwB97XD functional with the 6–311 + + G(d,p) basis set were performed to estimate the molecular geometry, electronic properties, and global parameters. In addition, in silico docking studies were conducted to determine the docking interactions and binding affinities with suitable receptors. The TGA/DTA analysis was used to study thermal stability, while the optical transparency of DAPMP was measured using UV–vis spectroscopy. The third-order nonlinear optical (TNLO) properties were studied by Z-scan technique. DAPMP exhibits a noteworthy two-photon absorption (β = 2.37X10–4 cmW−1), nonlinear refraction (n2 = 4.37X10–9 cm2W−1) and a third-order nonlinear susceptibility (χ(3) = 5.4X10–4esu). These enhanced TNLO properties suggest the potential application of DAPMP crystal in optical communication and optical switching devices.</div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 8","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143655397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0